O4-methyl O2-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl] 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O4-methyl O2-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl] 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl] O4-methyl 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylic acid O4-methyl ester O2-[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl] ester IUPAC Name: 2-O-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 4-O-methyl 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylic acid O2-[2-(4-benzylpiperazino)-2-keto-ethyl] ester O4-methyl ester Formula: C23H29N3O5 MolecularWeight: 427.49346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1)C(=O)OCC(=O)N2CCN(CC2)CC3=CC=CC=C3)C)C(=O)OC

Isomeric SMILES

CCC1=C(C(=C(N1)C(=O)OCC(=O)N2CCN(CC2)CC3=CC=CC=C3)C)C(=O)OC

InChI

InChI=1S/C23H29N3O5/c1-4-18-20(22(28)30-3)16(2)21(24-18)23(29)31-15-19(27)26-12-10-25(11-13-26)14-17-8-6-5-7-9-17/h5-9,24H,4,10-15H2,1-3H3